A two-step UPLC-MS method was developed for the separation and identification of five compounds — germacrene D, spathulenol, longipinanol, ambrosin, and cumanin — extracted from Ambrosia artemisiifolia, even in the absence of analytical standards. In the first step, the MassLynx software was employed to generate isotopic model spectra, allowing identification of the target compounds based on the recorded spectra during chromatographic separation. In the second step, the retention times of the eluted peaks were correlated with the logP values of the target compounds, providing an additional layer of identification. Another key objective of this study was to optimize the solid–liquid extraction process of the target compounds from different plant organs (root, stem, leaf). To achieve this, a full factorial experimental design was generated using Minitab software, minimizing the number of experiments while maximizing the information obtained. By evaluating factors such as the organ origin of the plant material, extraction time, and the hydrophobicity and volume of the extraction solvent, the number of experiments was effectively reduced to 36. The results highlighted that solvent hydrophobicity and solvent volume significantly influenced the extraction yield. This method provides an efficient and reliable strategy for both the identification and extraction optimization of compounds from A. artemisiifolia.

design of experiments, factorial design, Ambrosia sp., germacrene, spathulenol, longipinanol, ambrosin, cumanin, sesquiterpene derivatives, MS spectra, solid – liquid extraction

agronomy

Presentation: poster